N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide

C20H29N3O2 — CID 99970623

IUPACN-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-23-13-11-15(12-14-23)19(24)22-18-10-6-5-9-17(18)20(25)21-16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyZVUCYIQCTPRMNW-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide

N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 99970623) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
PubChem CID99970623
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c1-23-13-11-15(12-14-23)19(24)22-18-10-6-5-9-17(18)20(25)21-16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyZVUCYIQCTPRMNW-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorobenzoyl)-N-[2-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17223536
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide (CID 99970623) is N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is ZVUCYIQCTPRMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-23-13-11-15(12-14-23)19(24)22-18-10-6-5-9-17(18)20(25)21-16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide?
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 99970623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).